SCHEMBL715757

SCHEMBL715757

C[C@H](N)c1cc2cccc(Cl)c2nc1N1CCC(O)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDCD1LG2 Q9BQ51 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
PTPN11 Q06124 1/20 0.38
PDE10A Q9Y233 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
PNMT P11086 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL718056 1.00 CNR2 (0.42) CNR2KDM4EALDH1A1SMN1; SMN2PDCD1LG2
SCHEMBL715756 1.00 CNR2 (0.42) CNR2KDM4EALDH1A1SMN1; SMN2PDCD1LG2
SCHEMBL713498 0.88 CYP1A2 (0.38) KDM4EALDH1A1SMN1; SMN2PTPN11PDE10A
SCHEMBL716327 0.88 CYP1A2 (0.38) KDM4EALDH1A1SMN1; SMN2PTPN11PDE10A
SCHEMBL713497 0.88 CYP1A2 (0.38) KDM4EALDH1A1SMN1; SMN2PTPN11PDE10A
SCHEMBL715705 0.83 KDM4E (0.39) CNR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL715103 0.83 KDM4E (0.39) CNR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL715104 0.83 KDM4E (0.39) CNR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL715249 0.82 HPGD (0.43) CNR2KDM4EALDH1A1SMN1; SMN2CYP1A2
SCHEMBL717289 0.81 PIK3CD (0.40) CNR2KDM4EALDH1A1SMN1; SMN2PTPN11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2403847-B1 TRIAZINE DERIVATIVES AS KINASE INHIBITORS UCB BIOPHARMA SPRL (BE) 2016-03-02 EP disclosed
US-8785628-B2 Triazine derivatives as kinase inhibitors UCB PHARMA, S.A. (BE) 2014-07-22 US disclosed
US-20120053167-A1 Triazine Derivatives as Kinase Inhibitors UCB PHARMA, S.A. (BE) 2012-03-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120053167-A1 Triazine Derivatives as Kinase Inhibitors MAP3K15, PI4KA, MAP3K20 CNR2 1488/4885KDM4E 2430/4885ALDH1A1 3504/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.